The microscopic structure of hot and cold aqueous alcohol mixtures (CROSBI ID 643293)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa
Podaci o odgovornosti
Požar, Martina ; Lovrinčević, Bernarda ; Zoranić, Larisa ; Primorac, Tomislav ; Sokolić, Franjo ; Perera, Aurelien
engleski
The microscopic structure of hot and cold aqueous alcohol mixtures
Water and associating liquids constituate the environment where the vast majority of biological processes take place. Also, the physical principles that govern large scale asso- ciations and assembly of biological complexes are also responsible for the local structuring in liquid mixtures. In this work, we’re looking into the ordering in aqueous alcohol mix- tures. It is well known that, under ambient conditions, those mixtures have a pronounced micro-heterogeneous structure where water and alcohol form locally segregated domains [1]. What happens in colder conditions? How does this micro-heterogeneous structure evolve? By using computer simulations, we investigate the changes in microstructure with tempera- ture and concentration and show that it depends both on the topology of the methyl groups and the evolution with temperature of the charge ordering of the charged atomic sites. This evolution with temperature is followed through the static atom-atom distribution functions as well as Kirkwood-Buff integrals and atom-atom structure factors.
binary mixtures ; microheterogeneity ; simulation ; alcohols ; supercooled region
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Podaci o prilogu
128-128.
2016.
objavljeno
Podaci o matičnoj publikaciji
The 13th International "Greta Pifat Mrzljak" School of Biophysics."ABC of Physics of Life: Book of abstracts"
Marion, Sanjin ; Delač Marion, Ida ; Maltar Strmečki, Nadica ; Josef-Golubić Sanja ; Vuletić, Tomislav
Zagreb: Croatian Biophysical Society & Institute of Physics, Zagreb, Croatia
978-953-7666-14-9
Podaci o skupu
The 13th International "Greta Pifat Mrzljak" School of Biophysics
predavanje
01.09.2016-10.09.2016
Hrvatska